An ab initio study of the structures and
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Peter Babinec; Jerzy Leszczynski
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Article
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1999
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John Wiley and Sons
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English
⚖ 206 KB
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The ab initio electronic structure calculations at the MP2 and the Becke Ž . 3LYP density functional levels in conjunction with the 6-311qqG 2 df, 2 pd basis set were used for the determination of the structure, vibrational spectra, and dissociation 2q 2q Ž . energies of the XH and XH X s C, Si, Ge